(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-bromanyl-5-(prop-2-enylsulfamoyl)benzoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(allylsulfamoyl)-2-bromo-benzoate CAS Name: 2-bromo-5-(prop-2-enylsulfamoyl)benzoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-bromo-5-(prop-2-enylsulfamoyl)benzoate Traditional Name: 5-(allylsulfamoyl)-2-bromo-benzoic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H18BrN3O5S MolecularWeight: 492.34302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NCC=C)Br

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)NCC=C)Br

InChI

InChI=1S/C20H18BrN3O5S/c1-3-9-22-30(27,28)15-7-8-17(21)16(11-15)20(26)29-12-14-10-19(25)24-13(2)5-4-6-18(24)23-14/h3-8,10-11,22H,1,9,12H2,2H3